>compound Orotic acid_Orotic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C5H4N2O4
#smiles O=C(N1)C=C(NC(=O)1)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100186.txt;LC-ESI-QTOF_train_data/PR100595.txt
>charge 1
>ionization [M+H]+
>parentmass 157.02491

>collision 5-60
68.0141 37.09
74.9392 22.52
99.5109 9.011
111.0193 42.35
115.9648 38.31
139.0143 37.89
157.0249 33.22

>collision 5-60
111.0192 408.6
155.0093 18.42

